SCHEMBL1364808

SCHEMBL1364808

CC(CN=C=S)C(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27599259 0.79
SCHEMBL10792704 0.79
SCHEMBL3119781 0.78 GABRR1 (0.45)
SCHEMBL18652450 0.78 TRPA1 (0.43)
SCHEMBL3117322 0.75 BLM (0.46)
SCHEMBL1457046 0.74 TRPA1 (0.43)
SCHEMBL18650209 0.74 TRPA1 (0.39)
SCHEMBL541691 0.72 GABRR1 (0.46)
SCHEMBL15895653 0.72
SCHEMBL9011931 0.71 TRPA1 (0.39)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024306-B The conjugate and its medical application of polyoxazoline polymer and preparation method thereof, these polymer 根特大学 2017-06-13 CN disclosed
US-9180202-B2 Polyoxazoline polymers and methods for their preparation, conjugates of these polymers and medical uses thereof UNIVERSITEIT GENT (BE) 2015-11-10 US disclosed
US-20150025196-A1 POLYOXAZOLINE POLYMERS AND METHODS FOR THEIR PREPARATION, CONJUGATES OF THESE POLYMERS AND MEDICAL USES THEREOF UNIVERSITEIT GENT (BE) 2015-01-22 US disclosed
EP-2800773-A1 POLYOXAZOLINE POLYMERS AND METHODS FOR THEIR PREPARATION, CONJUGATES OF THESE POLYMERS AND MEDICAL USES THEREOF Universiteit Gent (BE) 2014-11-12 EP disclosed
CN-104024306-A POLYOXAZOLINE POLYMERS AND METHODS FOR THEIR PREPARATION, CONJUGATES OF THESE POLYMERS AND MEDICAL USES THEREOF UNIV GENT 2014-09-03 CN disclosed
WO-2013103297-A1 POLYOXAZOLINE POLYMERS AND METHODS FOR THEIR PREPARATION, CONJUGATES OF THESE POLYMERS AND MEDICAL USES THEREOF UNIVERSITEIT GENT (BE) 2013-07-11 WO disclosed
US-8445214-B2 Preparation of micro-porous crystals and conjugates thereof ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-05-21 US disclosed
US-20110287408-A1 Preparation of Micro-Porous Crystals and Conjugates Thereof UNIVERSITAET BERN (CH) 2011-11-24 US disclosed
US-7960124-B2 Zeolite labeled with dye, stop-cock moiety, and affinity binding agent; visualized using magnetic resonance imaging and computed tomography ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-06-14 US disclosed
EP-2089320-B1 METHOD FOR THE PREPARATION OF MICRO-POROUS CRYSTALS AND CONJUGATES THEREOF ROCHE DIAGNOSTICS GMBH (DE) 2010-10-20 EP disclosed
EP-2089320-A1 METHOD FOR THE PREPARATION OF MICRO-POROUS CRYSTALS AND CONJUGATES THEREOF Roche Diagnostics GmbH (DE) 2009-08-19 EP disclosed
US-20080138914-A1 Preparation of micro-porous crystals and conjugates thereof WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2008-06-12 US disclosed
WO-2008052603-A1 METHOD FOR THE PREPARATION OF MICRO-POROUS CRYSTALS AND CONJUGATES THEREOF ROCHE DIAGNOSTICS GMBH (DE) 2008-05-08 WO disclosed